beta-lactam-A296-1
General
Type : Piperazine,Azetidin,beta-Lactam
Chemical_Nomenclature : 1-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]azetidin-2-one
Canonical SMILES : c1cc(cc(c1)N2CCC2=O)CN3CCN(CC3)Cc4ccc(cc4)Br
InChI : InChI=1S\/C21H24BrN3O\/c22-19-6-4-17(5-7-19)15-23-10-12-24(13-11-23)16-18-2-1-3-20(14-18)25-9-8-21(25)26\/h1-7,14H,8-13,15-16H2
InChIKey : UKZMZNGKMQQUCK-UHFFFAOYSA-N
Other name(s) : QX8
MW : 414.34
Formula : C21H24BrN3O
CAS_number :
PubChem : 155928367
UniChem : UKZMZNGKMQQUCK-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : beta-lactam-A296-1 ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 7A3K Crystal structure of DPP8 in complex with a b-lactam based inhibitor, A296.1
Protein : human-DPP8
References (1)
| Title : Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9 - Carvalho_2022_Angew.Chem.Int.Ed.Engl_61_e202210498 |
| Author(s) : Carvalho LAR , Ross B , Fehr L , Bolgi O , Wohrle S , Lum KM , Podlesainski D , Vieira AC , Kiefersauer R , Felix R , Rodrigues T , Lucas SD , Gross O , Geiss-Friedlander R , Cravatt BF , Huber R , Kaiser M , Moreira R |
| Ref : Angew Chem Int Ed Engl , : , 2022 |
| Abstract : Carvalho_2022_Angew.Chem.Int.Ed.Engl_61_e202210498 |
| ESTHER : Carvalho_2022_Angew.Chem.Int.Ed.Engl_61_e202210498 |
| PubMedSearch : Carvalho_2022_Angew.Chem.Int.Ed.Engl_61_e202210498 |
| PubMedID: 36089535 |
| Gene_locus related to this paper: human-DPP8 , human-DPP9 |